Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.40 |
| ▸ | FDPS | P14324 | 2/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL15018297 | 0.98 | MEN1 (0.41) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| SCHEMBL15535135 | 0.94 | MEN1 (0.44) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Bromide SCHEMBL5168946 | 0.91 | MEN1 (0.45) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Bromide SCHEMBL193080 | 0.89 | — | — | |
| Bromide SCHEMBL582480 | 0.89 | — | — | |
| SCHEMBL372519 | 0.89 | MEN1 (0.42) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Methane SCHEMBL28840387 | 0.88 | — | — | |
| Fluoride Ion SCHEMBL5172541 | 0.88 | MEN1 (0.41) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Bromide SCHEMBL28471019 | 0.88 | — | — | |
| Iodide SCHEMBL1758290 | 0.88 | SMN1; SMN2 (0.41) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3386697-A1 | PROCESS FOR PARTIAL DELIGNIFICATION AND FILLING OF A LIGNOCELLULOSIC MATERIAL, AND COMPOSITE STRUCTURE ABLE TO BE OBTAINED BY THIS PROCESS | Boitouzet, Timothée (FR) | 2018-10-17 | — | — | EP | disclosed |